2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide

C12H16Cl2N2O — CID 43084871

IUPAC2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-7(2)15-12(17)8(3)16-11-6-9(13)4-5-10(11)14/h4-8,16H,1-3H3,(H,15,17)
InChIKeyUIWYLXLLVCJAMY-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.32
Rot. Bonds4

About 2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide

2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide (PubChem CID 43084871) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide
PubChem CID43084871
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-7(2)15-12(17)8(3)16-11-6-9(13)4-5-10(11)14/h4-8,16H,1-3H3,(H,15,17)
InChIKeyUIWYLXLLVCJAMY-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-cyanoanilino)-N-propan-2-ylpropanamide
CID 64917926
N-cyclopropyl-2-(2,5-dichloroanilino)propanamide
CID 43083853
2-(2,5-dichloroanilino)-N-phenylpropanamide
CID 43083844
2-(2,5-dichloroanilino)-N-prop-2-ynylpropanamide
CID 43113383
N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide
CID 2988512
tert-butyl 2-(2,5-dichloroanilino)propanoate
CID 66337577
1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea
CID 64994195
(2S)-2-(2,5-dichloroanilino)-3-methylbutanoic acid
CID 54336195
2-(2,4-dichloroanilino)-N-methylpropanamide
CID 18321698
2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide
CID 43113582
N-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
CID 55351392
2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide
CID 65499751

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide (CID 43084871) is 2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide?
The InChIKey is UIWYLXLLVCJAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-7(2)15-12(17)8(3)16-11-6-9(13)4-5-10(11)14/h4-8,16H,1-3H3,(H,15,17).
What are the key properties of 2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide?
2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide has a molecular weight of 275.18 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 43084871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).